Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30595872 | 0.71 | HSP90AA1 (0.52) | CCNT1CCNA2CDK2CDK9CCNA1 | |
| SCHEMBL2814353 | 0.71 | HSP90AA1 (0.52) | CCNT1CCNA2CDK2CDK9CCNA1 | |
| SCHEMBL27612098 | 0.69 | NISCH (0.59) | CYP2D6 | |
| SCHEMBL13910999 | 0.69 | HSP90AA1 (0.50) | CCNT1CCNA2CDK2CDK9CCNA1 | |
| SCHEMBL10402322 | 0.67 | HSP90AA1 (0.48) | CCNT1CCNA2CDK2CDK9CCNA1 | |
| SCHEMBL19814593 | 0.66 | — | — | |
| SCHEMBL9903935 | 0.65 | CYP2D6 (0.60) | HSP90AA1MAPK14MAPK9MAPK13RAF1 | |
| SCHEMBL27995610 | 0.64 | LATS1 (0.33) | CDC7HSP90AA1MAPK14MAPK9MAPK13 | |
| SCHEMBL4789542 | 0.63 | SIGMAR1 (0.47) | CDC7 | |
| SCHEMBL25295479 | 0.63 | TP53 (0.48) | CCNT1CCNA2CDK2CDK9CCNA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3289876-A1 | COMPOUNDS FOR TREATMENT OF CANCER | University of Tennessee Research Foundation (US) | 2018-03-07 | — | — | EP | disclosed |